Geometry & MOs

Info

ID:

86440

PubChem CID:

49885557

Reduced:

S2O3N5C25H25 (1)

Stoich.:

A2B3C5D25E25 (1)

Weight, g/mol:

518.159946

ΔHf, kcal/mol:

14.48

Dipole, Da:

8.25

IP(EA), eV:

 -9.07(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SC(C)C(=O)NC4=NC5=C(S4)C=C(C=C5)C

DOS

IR

Vibrations